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	hartrees
Energy at 0K	-573.688725
Energy at 298.15K	-573.693739
HF Energy	-573.243280
Nuclear repulsion energy	141.808666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3074	13.98
2	A	3162	3025	5.32
3	A	3147	3010	2.62
4	A	3131	2995	5.46
5	A	3094	2959	11.75
6	A	1703	1629	1.25
7	A	1555	1488	5.90
8	A	1519	1452	4.64
9	A	1368	1308	0.16
10	A	1346	1287	25.38
11	A	1272	1217	0.28
12	A	1150	1100	1.27
13	A	1025	981	15.85
14	A	971	928	42.25
15	A	939	898	7.79
16	A	932	891	2.58
17	A	754	721	49.68
18	A	597	571	5.91
19	A	416	398	0.98
20	A	294	282	3.63
21	A	96	92	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	2.243	-0.197	-0.308
C2	1.141	-0.136	0.453
C3	-0.039	0.759	0.137
Cl4	-1.553	-0.243	-0.115
H5	2.347	0.390	-1.221
H6	3.084	-0.838	-0.049
H7	1.047	-0.740	1.356
H8	-0.263	1.443	0.960
H9	0.127	1.325	-0.785

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3411	2.5138	3.8016	1.0907	1.0886	2.1205	3.2529	2.6499
C2	1.3411		1.5139	2.7552	2.1297	2.1262	1.0904	2.1732	2.1667
C3	2.5138	1.5139		1.8331	2.7701	3.5122	2.2159	1.0941	1.0943
Cl4	3.8016	2.7552	1.8331		4.1034	4.6757	3.0284	2.3800	2.3937
H5	1.0907	2.1297	2.7701	4.1034		1.8511	3.1003	3.5611	2.4481
H6	1.0886	2.1262	3.5122	4.6757	1.8511		2.4769	4.1744	3.7368
H7	2.1205	1.0904	2.2159	3.0284	3.1003	2.4769		2.5763	3.1133
H8	3.2529	2.1732	1.0941	2.3800	3.5611	4.1744	2.5763		1.7920
H9	2.6499	2.1667	1.0943	2.3937	2.4481	3.7368	3.1133	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.288	C1	C2	H7	121.064
C2	C1	H5	121.943	C2	C1	H6	121.767
C2	C3	Cl4	110.447	C2	C3	H8	111.867
C2	C3	H9	111.325	C3	C2	H7	115.647
Cl4	C3	H8	106.026	Cl4	C3	H9	106.988
H5	C1	H6	116.290	H8	C3	H9	109.942

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)

using model chemistry: CCD/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H5Cl (1-Propene, 3-chloro-)

using model chemistry: CCD/3-21G*

States and conformations

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)